2-fluoro-1-methylsulfanyl-9H-thioxanthene

C14H11FS2 — CID 70612128

IUPAC2-fluoro-1-methylsulfanyl-9H-thioxanthene
SMILESCSc1c(F)ccc2c1Cc1ccccc1S2
InChIInChI=1S/C14H11FS2/c1-16-14-10-8-9-4-2-3-5-12(9)17-13(10)7-6-11(14)15/h2-7H,8H2,1H3
InChIKeyAUCLXEMUUJWJHK-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.60
Rot. Bonds1

About 2-fluoro-1-methylsulfanyl-9H-thioxanthene

2-fluoro-1-methylsulfanyl-9H-thioxanthene (PubChem CID 70612128) has the molecular formula C14H11FS2 and a molecular weight of 262.37 g/mol. Its IUPAC name is 2-fluoro-1-methylsulfanyl-9H-thioxanthene.

Molecular Properties

Compound Name2-fluoro-1-methylsulfanyl-9H-thioxanthene
PubChem CID70612128
Molecular FormulaC14H11FS2
Molecular Weight262.37 g/mol
Exact Mass262.03
IUPAC Name2-fluoro-1-methylsulfanyl-9H-thioxanthene
SMILESCSc1c(F)ccc2c1Cc1ccccc1S2
InChIInChI=1S/C14H11FS2/c1-16-14-10-8-9-4-2-3-5-12(9)17-13(10)7-6-11(14)15/h2-7H,8H2,1H3
InChIKeyAUCLXEMUUJWJHK-UHFFFAOYSA-N
XLogP4.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methylsulfanyl-9H-thioxanthene?
The IUPAC name of 2-fluoro-1-methylsulfanyl-9H-thioxanthene (CID 70612128) is 2-fluoro-1-methylsulfanyl-9H-thioxanthene.
What is the SMILES notation for 2-fluoro-1-methylsulfanyl-9H-thioxanthene?
The canonical SMILES for 2-fluoro-1-methylsulfanyl-9H-thioxanthene is CSc1c(F)ccc2c1Cc1ccccc1S2.
What is the InChIKey of 2-fluoro-1-methylsulfanyl-9H-thioxanthene?
The InChIKey is AUCLXEMUUJWJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FS2/c1-16-14-10-8-9-4-2-3-5-12(9)17-13(10)7-6-11(14)15/h2-7H,8H2,1H3.
What are the key properties of 2-fluoro-1-methylsulfanyl-9H-thioxanthene?
2-fluoro-1-methylsulfanyl-9H-thioxanthene has a molecular weight of 262.37 g/mol, XLogP of 4.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methylsulfanyl-9H-thioxanthene is sourced from PubChem (CID 70612128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).